Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3cir_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 3.A OG1 MET 1.A O no hydrogen 3.243 N/A THR 3.A OG1 GLN 183.A OE1 no hydrogen 3.547 N/A PHE 4.A N GLN 183.A O no hydrogen 2.898 N/A ALA 6.A N ARG 185.A O no hydrogen 3.137 N/A ASP 7.A N LYS 32.A O no hydrogen 2.620 N/A ALA 9.A N ALA 188.A O no hydrogen 2.927 N/A ILE 10.A N ALA 34.A O no hydrogen 2.862 N/A VAL 11.A N VAL 190.A O no hydrogen 3.086 N/A GLY 12.A N ILE 36.A O no hydrogen 2.566 N/A GLY 15.A N THR 46.A OG1 no hydrogen 3.217 N/A LEU 18.A N GLY 14.A O no hydrogen 3.159 N/A ARG 19.A N GLY 15.A O no hydrogen 3.048 N/A ARG 19.A NE GLU 93.A OE1 no hydrogen 3.003 N/A ARG 19.A NH1 ARG 19.A O no hydrogen 3.365 N/A ARG 19.A NH2 GLU 93.A OE1 no hydrogen 2.806 N/A ALA 20.A N ALA 16.A O no hydrogen 3.024 N/A ALA 21.A N GLY 17.A O no hydrogen 2.937 N/A ILE 22.A N LEU 18.A O no hydrogen 2.865 N/A ALA 23.A N ARG 19.A O no hydrogen 3.364 N/A ALA 24.A N ALA 20.A O no hydrogen 3.385 N/A ALA 25.A N ALA 21.A O no hydrogen 3.070 N/A GLN 26.A N ILE 22.A O no hydrogen 2.719 N/A ALA 27.A N ALA 23.A O no hydrogen 2.360 N/A ASN 28.A N ALA 24.A O no hydrogen 2.727 N/A ALA 31.A N ASN 28.A O no hydrogen 2.977 N/A LYS 32.A N ASP 7.A OD2 no hydrogen 2.358 N/A LYS 32.A NZ GLN 5.A O no hydrogen 3.180 N/A ILE 33.A N GLN 149.A O no hydrogen 2.986 N/A ALA 34.A N LEU 8.A O no hydrogen 3.043 N/A LEU 35.A N GLN 151.A O no hydrogen 2.678 N/A ILE 36.A N ILE 10.A O no hydrogen 2.914 N/A SER 37.A N PHE 153.A O no hydrogen 3.163 N/A SER 37.A OG VAL 39.A O no hydrogen 2.411 N/A LYS 38.A NZ ILE 208.A O no hydrogen 3.388 N/A LYS 38.A NZ THR 210.A OG1 no hydrogen 3.408 N/A LYS 38.A NZ ASP 212.A OD1 no hydrogen 2.891 N/A LYS 38.A NZ GLU 472.A OE2 no hydrogen 2.401 N/A VAL 39.A N SER 37.A OG no hydrogen 3.127 N/A ARG 43.A N TYR 40.A O no hydrogen 2.848 N/A SER 44.A N PRO 41.A O no hydrogen 3.319 N/A SER 44.A OG ALA 13.A O no hydrogen 3.136 N/A SER 44.A OG PRO 41.A O no hydrogen 2.865 N/A VAL 47.A N SER 44.A O no hydrogen 3.060 N/A ALA 48.A N HIS 45.A O no hydrogen 2.643 N/A ALA 49.A N THR 46.A O no hydrogen 3.258 N/A SER 53.A N TRP 126.A O no hydrogen 3.034 N/A ALA 54.A N SER 358.A O no hydrogen 2.880 N/A ALA 55.A N ARG 124.A O no hydrogen 2.832 N/A GLN 58.A NE2 GLU 123.A O no hydrogen 3.142 N/A GLN 58.A NE2 GLU 123.A OE2 no hydrogen 2.695 N/A ASP 61.A N GLN 58.A O no hydrogen 3.180 N/A SER 62.A N ASP 61.A OD2 no hydrogen 2.652 N/A GLU 64.A N SER 62.A OG no hydrogen 3.202 N/A TYR 65.A N SER 62.A O no hydrogen 3.049 N/A HIS 66.A N SER 62.A O no hydrogen 3.049 N/A PHE 67.A N PHE 63.A O no hydrogen 2.618 N/A HIS 68.A N GLU 64.A O no hydrogen 3.192 N/A ASP 69.A N TYR 65.A O no hydrogen 2.956 N/A THR 70.A N HIS 66.A O no hydrogen 2.893 N/A THR 70.A OG1 HIS 66.A O no hydrogen 3.195 N/A VAL 71.A N PHE 67.A O no hydrogen 3.103 N/A ALA 72.A N HIS 68.A O no hydrogen 3.265 N/A GLY 73.A N ASP 69.A O no hydrogen 3.242 N/A GLY 74.A N THR 70.A O no hydrogen 2.948 N/A ASP 75.A N ALA 72.A O no hydrogen 3.349 N/A TRP 76.A N VAL 71.A O no hydrogen 3.045 N/A TRP 76.A NE1 LEU 538.A O no hydrogen 3.094 N/A LEU 77.A N GLY 74.A O no hydrogen 3.105 N/A CYS 78.A SG THR 70.A O no hydrogen 3.993 N/A CYS 78.A SG LEU 350.A O no hydrogen 3.638 N/A GLU 79.A N GLY 349.A O no hydrogen 2.939 N/A GLN 80.A N LYS 534.A O no hydrogen 2.991 N/A GLN 80.A NE2 LEU 538.A O no hydrogen 3.103 N/A VAL 82.A N GLU 79.A O no hydrogen 2.668 N/A VAL 83.A N GLU 79.A O no hydrogen 3.257 N/A ASP 84.A N GLN 80.A O no hydrogen 3.222 N/A TYR 85.A N ASP 81.A O no hydrogen 3.308 N/A PHE 86.A N VAL 82.A O no hydrogen 2.854 N/A VAL 87.A N VAL 83.A O no hydrogen 2.852 N/A HIS 88.A N ASP 84.A O no hydrogen 3.103 N/A HIS 89.A N PHE 86.A O no hydrogen 3.076 N/A CYS 90.A N VAL 87.A O no hydrogen 3.416 N/A CYS 90.A SG PHE 86.A O no hydrogen 3.200 N/A CYS 90.A SG VAL 87.A O no hydrogen 3.752 N/A GLU 93.A N HIS 89.A O no hydrogen 3.152 N/A MET 94.A N CYS 90.A O no hydrogen 2.764 N/A THR 95.A N PRO 91.A O no hydrogen 2.958 N/A THR 95.A OG1 PRO 91.A O no hydrogen 2.364 N/A GLN 96.A N THR 92.A O no hydrogen 3.265 N/A LEU 97.A N GLU 93.A O no hydrogen 3.051 N/A LEU 99.A N THR 95.A O no hydrogen 2.811 N/A TRP 100.A N LEU 97.A O no hydrogen 2.790 N/A GLY 101.A N GLU 98.A O no hydrogen 2.628 N/A CYS 102.A N LEU 97.A O no hydrogen 3.107 N/A TRP 104.A N CYS 102.A O no hydrogen 2.794 N/A SER 105.A N PHE 127.A O no hydrogen 2.487 N/A ARG 106.A NE TRP 104.A O no hydrogen 2.918 N/A ARG 106.A NH1 GLY 110.A O no hydrogen 3.485 N/A ARG 107.A N SER 111.A O no hydrogen 2.671 N/A GLY 110.A N ARG 107.A O no hydrogen 2.769 N/A ASN 113.A N SER 105.A O no hydrogen 3.231 N/A ARG 115.A N THR 125.A O no hydrogen 2.797 N/A ARG 124.A NE ASP 61.A OD1 no hydrogen 2.896 N/A ARG 124.A NH2 ASP 61.A OD2 no hydrogen 3.074 N/A THR 125.A N ARG 115.A O no hydrogen 3.252 N/A THR 125.A OG1 ARG 115.A O no hydrogen 3.319 N/A TRP 126.A N SER 53.A O no hydrogen 2.740 N/A TRP 126.A NE1 ALA 55.A O no hydrogen 3.076 N/A ALA 128.A N THR 132.A OG1 no hydrogen 3.340 N/A LYS 131.A N ALA 128.A O no hydrogen 3.042 N/A THR 132.A OG1 GLY 51.A O no hydrogen 3.380 N/A GLY 133.A N ALA 49.A O no hydrogen 2.688 N/A HIS 135.A N LYS 131.A O no hydrogen 3.050 N/A MET 136.A N THR 132.A O no hydrogen 2.911 N/A LEU 137.A N GLY 133.A O no hydrogen 2.981 N/A HIS 138.A N PHE 134.A O no hydrogen 2.908 N/A THR 139.A N HIS 135.A O no hydrogen 2.960 N/A THR 139.A OG1 HIS 135.A O no hydrogen 2.685 N/A LEU 140.A N MET 136.A O no hydrogen 2.831 N/A PHE 141.A N LEU 137.A O no hydrogen 2.651 N/A GLN 142.A N HIS 138.A O no hydrogen 2.624 N/A THR 143.A N THR 139.A O no hydrogen 2.770 N/A THR 143.A OG1 THR 139.A O no hydrogen 3.127 N/A SER 144.A N LEU 140.A O no hydrogen 3.004 N/A SER 144.A OG PHE 141.A O no hydrogen 2.332 N/A LEU 145.A N PHE 141.A O no hydrogen 3.402 N/A GLN 146.A N THR 143.A O no hydrogen 3.098 N/A GLN 146.A NE2 THR 143.A O no hydrogen 3.551 N/A PHE 147.A N SER 144.A O no hydrogen 2.694 N/A GLN 149.A N GLN 149.A OE1 no hydrogen 2.415 N/A ILE 150.A N PHE 147.A O no hydrogen 3.326 N/A GLN 151.A N ILE 33.A O no hydrogen 2.843 N/A GLN 151.A NE2 ARG 152.A O no hydrogen 3.632 N/A ARG 152.A NH1 ASP 154.A OD1 no hydrogen 2.188 N/A PHE 153.A N LEU 35.A O no hydrogen 2.469 N/A HIS 156.A N SER 37.A O no hydrogen 2.847 N/A HIS 156.A ND1 ASP 154.A O no hydrogen 3.025 N/A PHE 157.A N MET 174.A O no hydrogen 3.128 N/A LEU 159.A N VAL 172.A O no hydrogen 3.219 N/A ASP 160.A N VAL 172.A O no hydrogen 3.525 N/A ILE 161.A N ASP 160.A OD1 no hydrogen 2.830 N/A LEU 162.A N GLY 170.A O no hydrogen 2.830 N/A ASP 164.A N HIS 167.A O no hydrogen 3.195 N/A HIS 167.A N ASP 164.A O no hydrogen 3.219 N/A VAL 168.A N LYS 337.A O no hydrogen 3.055 N/A ARG 169.A N LEU 162.A O no hydrogen 2.853 N/A ARG 169.A NH1 ASN 187.A OD1 no hydrogen 3.026 N/A ARG 169.A NH1 GLY 383.A O no hydrogen 2.645 N/A ARG 169.A NH2 GLY 383.A O no hydrogen 3.313 N/A LEU 171.A N ILE 184.A O no hydrogen 2.822 N/A VAL 172.A N ASP 160.A O no hydrogen 2.855 N/A ALA 173.A N VAL 182.A O no hydrogen 3.026 N/A MET 174.A N PHE 157.A O no hydrogen 2.657 N/A ASN 175.A N THR 180.A O no hydrogen 2.820 N/A MET 176.A N GLU 155.A O no hydrogen 3.170 N/A GLU 178.A N ASN 175.A OD1 no hydrogen 3.051 N/A GLY 179.A N ASN 175.A O no hydrogen 2.478 N/A VAL 182.A N ALA 173.A O no hydrogen 2.859 N/A GLN 183.A N GLN 2.A O no hydrogen 3.158 N/A ILE 184.A N LEU 171.A O no hydrogen 2.766 N/A ARG 185.A N PHE 4.A O no hydrogen 2.867 N/A ARG 185.A NH2 GLN 183.A OE1 no hydrogen 2.713 N/A ALA 186.A N ARG 169.A O no hydrogen 2.973 N/A ASN 187.A N ASP 7.A O no hydrogen 3.331 N/A VAL 189.A N GLY 338.A O no hydrogen 2.579 N/A VAL 190.A N ALA 9.A O no hydrogen 2.885 N/A MET 191.A N PHE 340.A O no hydrogen 2.500 N/A ALA 192.A N VAL 11.A O no hydrogen 3.206 N/A ALA 196.A N THR 322.A OG1 no hydrogen 3.377 N/A ARG 198.A N VAL 209.A O no hydrogen 3.218 N/A VAL 199.A N ALA 196.A O no hydrogen 3.100 N/A TYR 200.A OH CYS 428.A O no hydrogen 3.047 N/A ASN 203.A ND2 TYR 200.A O no hydrogen 2.345 N/A THR 204.A N ALA 319.A O no hydrogen 3.181 N/A ASN 205.A ND2 THR 204.A OG1 no hydrogen 2.894 N/A ASN 205.A ND2 HIS 320.A O no hydrogen 3.085 N/A GLY 206.A N HIS 45.A ND1 no hydrogen 3.228 N/A VAL 209.A N GLY 206.A O no hydrogen 3.048 N/A THR 210.A OG1 ASP 212.A OD2 no hydrogen 2.508 N/A GLY 215.A N GLY 211.A O no hydrogen 3.252 N/A MET 216.A N ASP 212.A O no hydrogen 2.689 N/A ALA 217.A N GLY 213.A O no hydrogen 2.838 N/A ALA 217.A N MET 214.A O no hydrogen 3.261 N/A LEU 218.A N MET 214.A O no hydrogen 3.201 N/A SER 219.A N GLY 215.A O no hydrogen 3.418 N/A SER 219.A OG MET 216.A O no hydrogen 2.953 N/A HIS 220.A N ALA 217.A O no hydrogen 2.934 N/A GLY 221.A N LEU 218.A O no hydrogen 3.204 N/A VAL 222.A N ALA 217.A O no hydrogen 3.283 N/A LEU 224.A N ALA 518.A O no hydrogen 3.157 N/A ARG 225.A NE SER 347.A OG no hydrogen 3.288 N/A ARG 225.A NH2 SER 347.A O no hydrogen 2.989 N/A ASP 226.A N THR 516.A O no hydrogen 2.851 N/A GLU 228.A N GLU 228.A OE2 no hydrogen 2.582 N/A PHE 229.A N ASP 226.A O no hydrogen 3.325 N/A GLN 231.A N TYR 321.A O no hydrogen 3.129 N/A GLN 231.A NE2 ARG 355.A O no hydrogen 3.222 N/A TYR 232.A OH CYS 428.A O no hydrogen 2.423 N/A HIS 233.A N THR 318.A O no hydrogen 2.924 N/A ALA 235.A N HIS 233.A ND1 no hydrogen 3.484 N/A SER 240.A N PRO 238.A O no hydrogen 2.608 N/A GLY 241.A N LEU 237.A O no hydrogen 2.561 N/A ILE 242.A N SER 240.A OG no hydrogen 3.126 N/A CYS 248.A SG THR 245.A O no hydrogen 3.642 N/A ARG 249.A N GLU 246.A O no hydrogen 3.219 N/A ARG 255.A NH1 TYR 232.A O no hydrogen 2.828 N/A ARG 255.A NH2 TYR 232.A O no hydrogen 2.782 N/A SER 259.A N ARG 255.A O no hydrogen 3.131 N/A SER 259.A OG ARG 255.A O no hydrogen 2.972 N/A GLN 260.A N ASP 256.A O no hydrogen 3.003 N/A ALA 261.A N LYS 257.A O no hydrogen 2.980 N/A PHE 262.A N VAL 258.A O no hydrogen 3.092 N/A TRP 263.A N SER 259.A O no hydrogen 3.308 N/A HIS 264.A N GLN 260.A O no hydrogen 2.920 N/A HIS 264.A ND1 GLN 260.A O no hydrogen 2.850 N/A ASN 270.A N GLU 265.A O no hydrogen 3.279 N/A THR 274.A OG1 GLY 277.A O no hydrogen 2.819 N/A ARG 276.A N THR 274.A OG1 no hydrogen 3.143 N/A GLY 277.A N THR 274.A OG1 no hydrogen 3.292 N/A LEU 284.A N LEU 281.A O no hydrogen 2.156 N/A LYS 288.A NZ GLU 251.A O no hydrogen 3.426 N/A LEU 289.A N GLY 285.A O no hydrogen 3.459 N/A HIS 290.A N GLU 286.A O no hydrogen 2.938 N/A ARG 292.A N LYS 288.A O no hydrogen 3.172 N/A LEU 293.A N LEU 289.A O no hydrogen 2.863 N/A CYS 297.A N LEU 293.A O no hydrogen 3.146 N/A LYS 301.A N CYS 297.A O no hydrogen 3.124 N/A LYS 301.A NZ ASP 307.A OD2 no hydrogen 2.617 N/A TYR 303.A N LEU 299.A O no hydrogen 2.944 N/A VAL 304.A N ALA 300.A O no hydrogen 3.041 N/A VAL 306.A N ALA 300.A O no hydrogen 3.429 N/A VAL 309.A N ASP 307.A OD1 no hydrogen 3.368 N/A LYS 310.A N ASP 307.A O no hydrogen 2.693 N/A LYS 310.A NZ GLU 311.A OE2 no hydrogen 3.525 N/A GLU 311.A N ASP 307.A O no hydrogen 2.797 N/A ILE 313.A N LEU 279.A O no hydrogen 2.956 N/A ARG 316.A N GLY 236.A O no hydrogen 2.789 N/A ALA 319.A N TYR 202.A O no hydrogen 3.046 N/A HIS 320.A N GLN 231.A O no hydrogen 3.094 N/A TYR 321.A N GLN 231.A O no hydrogen 3.188 N/A TYR 321.A OH HIS 351.A NE2 no hydrogen 3.155 N/A THR 322.A N GLU 344.A OE1 no hydrogen 2.792 N/A GLY 325.A N ARG 225.A O no hydrogen 3.268 N/A ILE 326.A N CYS 345.A O no hydrogen 2.852 N/A GLU 327.A N PRO 223.A O no hydrogen 3.165 N/A THR 328.A OG1 ASP 329.A O no hydrogen 3.560 N/A THR 328.A OG1 SER 347.A O no hydrogen 2.920 N/A ASP 329.A N GLU 333.A O no hydrogen 2.650 N/A GLN 330.A N GLN 330.A OE1 no hydrogen 2.493 N/A CYS 332.A N ASP 329.A O no hydrogen 2.893 N/A GLU 333.A N ASP 329.A OD1 no hydrogen 2.326 N/A THR 334.A N LEU 339.A O no hydrogen 2.711 N/A THR 334.A OG1 ILE 336.A O no hydrogen 3.496 N/A THR 334.A OG1 LEU 339.A O no hydrogen 2.520 N/A ARG 335.A NE GLU 327.A OE2 no hydrogen 3.366 N/A ILE 336.A N THR 334.A OG1 no hydrogen 3.406 N/A LYS 337.A NZ THR 334.A O no hydrogen 3.488 N/A GLY 338.A N GLU 333.A OE2 no hydrogen 3.361 N/A LEU 339.A N ILE 336.A O no hydrogen 2.890 N/A PHE 340.A N VAL 189.A O no hydrogen 2.913 N/A ALA 341.A N CYS 332.A O no hydrogen 3.012 N/A VAL 342.A N MET 191.A O no hydrogen 2.985 N/A CYS 345.A SG MET 191.A O no hydrogen 2.927 N/A CYS 345.A SG VAL 342.A O no hydrogen 3.829 N/A SER 346.A N GLY 343.A O no hydrogen 3.339 N/A SER 346.A OG GLY 343.A O no hydrogen 2.549 N/A HIS 351.A NE2 GLU 363.A OE1 no hydrogen 3.037 N/A ALA 353.A N GLY 74.A O no hydrogen 2.996 N/A ASN 354.A N HIS 351.A O no hydrogen 3.339 N/A ARG 355.A NE GLN 231.A OE1 no hydrogen 3.327 N/A SER 358.A OG GLY 357.A O no hydrogen 2.456 N/A ASN 359.A N LEU 356.A O no hydrogen 3.060 N/A GLU 363.A N ASN 359.A O no hydrogen 2.903 N/A LEU 364.A N SER 360.A O no hydrogen 2.969 N/A VAL 365.A N LEU 361.A O no hydrogen 3.106 N/A VAL 366.A N ALA 362.A O no hydrogen 2.742 N/A PHE 367.A N GLU 363.A O no hydrogen 2.622 N/A GLY 368.A N LEU 364.A O no hydrogen 2.673 N/A ARG 369.A N VAL 365.A O no hydrogen 3.464 N/A ARG 369.A NH1 GLU 93.A OE2 no hydrogen 3.299 N/A ALA 371.A N PHE 367.A O no hydrogen 2.535 N/A GLY 372.A N GLY 368.A O no hydrogen 2.916 N/A GLU 373.A N ARG 369.A O no hydrogen 2.897 N/A GLN 374.A N LEU 370.A O no hydrogen 2.894 N/A GLN 374.A NE2 GLN 374.A O no hydrogen 3.619 N/A ALA 375.A N ALA 371.A O no hydrogen 3.415 N/A THR 376.A N GLY 372.A O no hydrogen 3.126 N/A THR 376.A OG1 GLY 372.A O no hydrogen 3.087 N/A THR 376.A OG1 GLU 373.A O no hydrogen 3.545 N/A ARG 378.A N GLN 374.A O no hydrogen 3.114 N/A ALA 380.A N THR 376.A O no hydrogen 3.205 N/A THR 381.A N ARG 378.A O no hydrogen 3.321 N/A THR 381.A OG1 GLU 377.A O no hydrogen 3.137 N/A ALA 389.A N ASN 386.A O no hydrogen 2.969 N/A ALA 389.A N ASN 386.A OD1 no hydrogen 2.825 N/A ILE 390.A N ASN 386.A O no hydrogen 3.340 N/A GLU 391.A N GLU 387.A O no hydrogen 3.025 N/A ALA 392.A N ALA 388.A O no hydrogen 2.759 N/A GLN 393.A N ALA 389.A O no hydrogen 2.889 N/A GLN 393.A N ILE 390.A O no hydrogen 2.616 N/A ALA 394.A N ILE 390.A O no hydrogen 3.062 N/A GLY 396.A N GLN 393.A O no hydrogen 2.584 N/A VAL 397.A N GLN 393.A O no hydrogen 3.377 N/A GLU 398.A N ALA 394.A O no hydrogen 3.103 N/A GLN 399.A N ALA 395.A O no hydrogen 2.895 N/A ARG 400.A N GLY 396.A O no hydrogen 2.734 N/A LEU 401.A N VAL 397.A O no hydrogen 2.844 N/A LYS 402.A N GLU 398.A O no hydrogen 3.093 N/A ASP 403.A N GLN 399.A O no hydrogen 2.753 N/A LEU 404.A N ARG 400.A O no hydrogen 2.889 N/A VAL 405.A N LEU 401.A O no hydrogen 2.745 N/A ASN 406.A N LYS 402.A O no hydrogen 2.865 N/A GLN 407.A N LEU 404.A O no hydrogen 3.328 N/A GLN 407.A NE2 LEU 404.A O no hydrogen 3.658 N/A GLU 411.A N ARG 453.A O no hydrogen 2.932 N/A ALA 414.A N ASN 412.A OD1 no hydrogen 2.874 N/A LYS 415.A N ASN 412.A O no hydrogen 2.904 N/A ILE 416.A N ASN 412.A O no hydrogen 3.312 N/A ARG 417.A N TRP 413.A O no hydrogen 2.988 N/A ARG 417.A NH2 ASP 418.A OD1 no hydrogen 3.111 N/A ASP 418.A N ALA 414.A O no hydrogen 3.267 N/A GLU 419.A N LYS 415.A O no hydrogen 3.100 N/A MET 420.A N ILE 416.A O no hydrogen 2.935 N/A GLY 421.A N ARG 417.A O no hydrogen 3.040 N/A LEU 422.A N ASP 418.A O no hydrogen 2.748 N/A ALA 423.A N GLU 419.A O no hydrogen 2.805 N/A ALA 423.A N MET 420.A O no hydrogen 3.121 N/A MET 424.A N MET 420.A O no hydrogen 3.020 N/A GLU 425.A N GLY 421.A O no hydrogen 3.065 N/A GLU 426.A N ALA 423.A O no hydrogen 3.238 N/A GLY 427.A N ALA 423.A O no hydrogen 2.914 N/A CYS 428.A N MET 424.A O no hydrogen 3.015 N/A TYR 431.A OH GLN 260.A OE1 no hydrogen 2.445 N/A ARG 432.A N GLN 498.A O no hydrogen 2.997 N/A ARG 432.A NE GLY 429.A O no hydrogen 3.549 N/A ARG 432.A NH1 GLU 228.A O no hydrogen 2.586 N/A LEU 436.A N THR 433.A OG1 no hydrogen 2.741 N/A MET 437.A N THR 433.A O no hydrogen 2.752 N/A GLN 438.A N PRO 434.A O no hydrogen 3.152 N/A GLN 438.A NE2 ASP 442.A OD1 no hydrogen 2.959 N/A GLN 438.A NE2 ASP 442.A OD2 no hydrogen 3.381 N/A LYS 439.A N GLU 435.A O no hydrogen 3.490 N/A THR 440.A N LEU 436.A O no hydrogen 3.262 N/A THR 440.A N MET 437.A O no hydrogen 3.015 N/A THR 440.A OG1 ALA 423.A O no hydrogen 2.795 N/A ILE 441.A N MET 437.A O no hydrogen 3.218 N/A ASP 442.A N GLN 438.A O no hydrogen 3.028 N/A LYS 443.A N LYS 439.A O no hydrogen 2.827 N/A LYS 443.A NZ GLU 419.A OE1 no hydrogen 2.950 N/A LYS 443.A NZ GLU 446.A OE2 no hydrogen 2.788 N/A LEU 444.A N THR 440.A O no hydrogen 2.664 N/A ALA 445.A N ILE 441.A O no hydrogen 2.770 N/A GLU 446.A N ASP 442.A O no hydrogen 2.957 N/A LEU 447.A N LYS 443.A O no hydrogen 3.050 N/A LEU 447.A N LEU 444.A O no hydrogen 3.208 N/A GLN 448.A N LEU 444.A O no hydrogen 3.105 N/A GLN 448.A NE2 ASN 478.A OD1 no hydrogen 2.733 N/A GLU 449.A N ALA 445.A O no hydrogen 3.107 N/A ARG 450.A N GLU 446.A O no hydrogen 3.245 N/A ARG 450.A NH1 GLU 411.A OE2 no hydrogen 3.302 N/A ARG 450.A NH1 GLU 419.A OE2 no hydrogen 3.208 N/A ARG 450.A NH2 GLU 419.A OE2 no hydrogen 2.710 N/A PHE 451.A N LEU 447.A O no hydrogen 2.757 N/A LYS 452.A N GLU 449.A O no hydrogen 2.749 N/A ARG 453.A N ARG 450.A O no hydrogen 2.594 N/A ARG 453.A NH1 GLU 449.A OE2 no hydrogen 3.470 N/A ARG 455.A N GLU 411.A O no hydrogen 3.490 N/A SER 460.A N ASP 458.A OD1 no hydrogen 2.922 N/A SER 460.A OG ASP 458.A OD1 no hydrogen 3.273 N/A PHE 463.A N MET 176.A O no hydrogen 3.001 N/A ASN 464.A ND2 ASP 458.A O no hydrogen 3.079 N/A ASN 464.A ND2 SER 460.A O no hydrogen 3.185 N/A LEU 467.A N ASN 464.A OD1 no hydrogen 2.609 N/A TYR 469.A N THR 465.A O no hydrogen 2.940 N/A THR 470.A OG1 ASP 466.A O no hydrogen 3.062 N/A ILE 471.A N LEU 467.A O no hydrogen 3.191 N/A GLU 472.A N LEU 468.A O no hydrogen 2.699 N/A LEU 473.A N TYR 469.A O no hydrogen 2.760 N/A GLY 474.A N THR 470.A O no hydrogen 2.836 N/A HIS 475.A N ILE 471.A O no hydrogen 3.291 N/A GLY 476.A N GLU 472.A O no hydrogen 2.957 N/A LEU 477.A N LEU 473.A O no hydrogen 3.008 N/A ASN 478.A N GLY 474.A O no hydrogen 3.433 N/A VAL 479.A N HIS 475.A O no hydrogen 2.923 N/A ALA 480.A N GLY 476.A O no hydrogen 2.852 N/A GLU 481.A N LEU 477.A O no hydrogen 3.030 N/A GLU 481.A N ASN 478.A O no hydrogen 3.151 N/A CYS 482.A N VAL 479.A O no hydrogen 2.516 N/A CYS 482.A SG ASN 478.A O no hydrogen 3.491 N/A CYS 482.A SG VAL 479.A O no hydrogen 3.194 N/A MET 483.A N VAL 479.A O no hydrogen 3.295 N/A ALA 484.A N ALA 480.A O no hydrogen 3.200 N/A HIS 485.A N GLU 481.A O no hydrogen 3.043 N/A SER 486.A N CYS 482.A O no hydrogen 2.677 N/A SER 486.A OG CYS 482.A O no hydrogen 2.523 N/A ALA 487.A N MET 483.A O no hydrogen 2.834 N/A MET 488.A N ALA 484.A O no hydrogen 2.847 N/A ALA 489.A N HIS 485.A O no hydrogen 3.022 N/A ARG 490.A N SER 486.A O no hydrogen 3.081 N/A ARG 490.A NE GLU 228.A OE1 no hydrogen 3.008 N/A ARG 490.A NH1 GLU 492.A OE1 no hydrogen 2.982 N/A ARG 490.A NH1 PHE 512.A O no hydrogen 3.125 N/A ARG 490.A NH2 LYS 514.A O no hydrogen 2.905 N/A ARG 490.A NH2 THR 516.A OG1 no hydrogen 2.758 N/A SER 493.A OG CYS 504.A O no hydrogen 2.495 N/A ARG 494.A N HIS 497.A O no hydrogen 2.594 N/A ARG 494.A NE ASP 75.A O no hydrogen 3.086 N/A ARG 494.A NH1 GLU 492.A OE1 no hydrogen 2.553 N/A ARG 494.A NH1 ASP 508.A O no hydrogen 3.396 N/A GLY 495.A N ASP 75.A OD2 no hydrogen 2.835 N/A ALA 496.A N ALA 353.A O no hydrogen 2.579 N/A HIS 497.A N ARG 494.A O no hydrogen 2.615 N/A ARG 499.A NE ASP 501.A OD1 no hydrogen 2.905 N/A ARG 499.A NH1 ARG 490.A O no hydrogen 3.053 N/A LEU 500.A N ARG 432.A O no hydrogen 3.261 N/A CYS 504.A N ASP 501.A O no hydrogen 2.941 N/A CYS 504.A SG ASP 501.A OD2 no hydrogen 3.198 N/A THR 505.A OG1 GLU 506.A OE1 no hydrogen 3.328 N/A ARG 507.A NH1 ASP 75.A OD1 no hydrogen 2.735 N/A ASP 508.A N GLU 492.A OE2 no hydrogen 2.829 N/A VAL 510.A N ASP 508.A OD1 no hydrogen 2.846 N/A ASN 511.A N ASP 508.A OD1 no hydrogen 3.299 N/A ASN 511.A N ASP 508.A OD2 no hydrogen 3.321 N/A ASN 511.A ND2 ASP 508.A OD2 no hydrogen 2.817 N/A PHE 512.A N ASP 508.A O no hydrogen 3.222 N/A HIS 515.A N SER 531.A O no hydrogen 2.722 N/A HIS 515.A ND1 ASP 226.A OD1 no hydrogen 3.273 N/A HIS 515.A ND1 ASP 226.A OD2 no hydrogen 2.651 N/A HIS 515.A NE2 GLU 79.A OE2 no hydrogen 2.896 N/A THR 516.A N ASP 226.A OD1 no hydrogen 3.208 N/A THR 516.A OG1 GLU 228.A OE1 no hydrogen 2.518 N/A LEU 517.A N GLU 529.A O no hydrogen 3.256 N/A PHE 519.A N ARG 527.A O no hydrogen 2.743 N/A ASP 521.A N THR 525.A O no hydrogen 3.259 N/A GLY 524.A N ASP 521.A O no hydrogen 2.765 N/A THR 525.A N ASP 523.A OD2 no hydrogen 3.061 N/A THR 525.A OG1 ASP 523.A OD1 no hydrogen 3.280 N/A THR 525.A OG1 ASP 523.A OD2 no hydrogen 2.859 N/A ARG 527.A N PHE 519.A O no hydrogen 2.711 N/A GLU 529.A N LEU 517.A O no hydrogen 3.070 N/A SER 531.A N HIS 515.A O no hydrogen 3.261 N/A LYS 534.A N GLU 79.A OE1 no hydrogen 3.294 N/A LYS 534.A N GLU 79.A OE2 no hydrogen 3.285 N/A THR 536.A N GLN 80.A OE1 no hydrogen 2.680 N/A THR 536.A OG1 GLN 80.A OE1 no hydrogen 3.345 N/A LEU 538.A N GLN 80.A OE1 no hydrogen 3.414 N/A